Geometry & MOs

Info

ID:	60950
PubChem CID:	26703455
Reduced:	SO4N5C23H25 (1)
Stoich.:	AB4C5D23E25 (1)
Weight, g/mol:	486.02603
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	2.79
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3,5-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations